1-[4-(aminomethyl)phenoxy]-3-[butyl(ethyl)amino]propan-2-ol

C16H28N2O2 — CID 43253651

IUPAC1-[4-(aminomethyl)phenoxy]-3-[butyl(ethyl)amino]propan-2-ol
SMILESCCCCN(CC)CC(O)COc1ccc(CN)cc1
InChIInChI=1S/C16H28N2O2/c1-3-5-10-18(4-2)12-15(19)13-20-16-8-6-14(11-17)7-9-16/h6-9,15,19H,3-5,10-13,17H2,1-2H3
InChIKeyZXCGHMXTCMXLOV-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.01
Rot. Bonds10

About 1-[4-(aminomethyl)phenoxy]-3-[butyl(ethyl)amino]propan-2-ol

1-[4-(aminomethyl)phenoxy]-3-[butyl(ethyl)amino]propan-2-ol (PubChem CID 43253651) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-[4-(aminomethyl)phenoxy]-3-[butyl(ethyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[4-(aminomethyl)phenoxy]-3-[butyl(ethyl)amino]propan-2-ol
PubChem CID43253651
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name1-[4-(aminomethyl)phenoxy]-3-[butyl(ethyl)amino]propan-2-ol
SMILESCCCCN(CC)CC(O)COc1ccc(CN)cc1
InChIInChI=1S/C16H28N2O2/c1-3-5-10-18(4-2)12-15(19)13-20-16-8-6-14(11-17)7-9-16/h6-9,15,19H,3-5,10-13,17H2,1-2H3
InChIKeyZXCGHMXTCMXLOV-UHFFFAOYSA-N
XLogP2.01
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(aminomethyl)phenoxy]-3-[ethyl(2-methylbutyl)amino]propan-2-ol
CID 79481508
1-[4-(aminomethyl)phenoxy]-3-[methyl(pentyl)amino]propan-2-ol
CID 43294523
1-[3-(aminomethyl)phenoxy]-3-[butyl(2-hydroxyethyl)amino]propan-2-ol
CID 61444597
(2R)-1-(4-bromophenoxy)-3-(dibutylamino)propan-2-ol
CID 2520136
1-(4-aminophenoxy)-3-[butyl(2-hydroxyethyl)amino]propan-2-ol
CID 61444137
3-[3-[butyl(ethyl)amino]-2-hydroxypropoxy]benzenecarbothioamide
CID 43290330
N-[3-[4-(aminomethyl)phenoxy]propyl]-N,2-diethylbutan-1-amine
CID 43588416
4-[4-(aminomethyl)phenoxy]-N,N-diethylbutan-1-amine
CID 21465327
1-(4-aminophenoxy)-3-[ethyl(2-ethylbutyl)amino]propan-2-ol
CID 43587427
(2R)-1-(4-bromophenoxy)-3-(diethylamino)propan-2-ol
CID 26961688
1-[4-(aminomethyl)phenoxy]-3-butylsulfinylpropan-2-ol
CID 81328669
1-[4-(aminomethyl)phenoxy]-3-(2-propoxyethoxy)propan-2-ol
CID 63685060

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)phenoxy]-3-[butyl(ethyl)amino]propan-2-ol?
The IUPAC name of 1-[4-(aminomethyl)phenoxy]-3-[butyl(ethyl)amino]propan-2-ol (CID 43253651) is 1-[4-(aminomethyl)phenoxy]-3-[butyl(ethyl)amino]propan-2-ol.
What is the SMILES notation for 1-[4-(aminomethyl)phenoxy]-3-[butyl(ethyl)amino]propan-2-ol?
The canonical SMILES for 1-[4-(aminomethyl)phenoxy]-3-[butyl(ethyl)amino]propan-2-ol is CCCCN(CC)CC(O)COc1ccc(CN)cc1.
What is the InChIKey of 1-[4-(aminomethyl)phenoxy]-3-[butyl(ethyl)amino]propan-2-ol?
The InChIKey is ZXCGHMXTCMXLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-3-5-10-18(4-2)12-15(19)13-20-16-8-6-14(11-17)7-9-16/h6-9,15,19H,3-5,10-13,17H2,1-2H3.
What are the key properties of 1-[4-(aminomethyl)phenoxy]-3-[butyl(ethyl)amino]propan-2-ol?
1-[4-(aminomethyl)phenoxy]-3-[butyl(ethyl)amino]propan-2-ol has a molecular weight of 280.41 g/mol, XLogP of 2.01, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)phenoxy]-3-[butyl(ethyl)amino]propan-2-ol is sourced from PubChem (CID 43253651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).